1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one

C14H17N5O — CID 117431171

IUPAC1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one
SMILESCN1C(=O)CCN1c1ccccc1-c1cnn(C)c1N
InChIInChI=1S/C14H17N5O/c1-17-14(15)11(9-16-17)10-5-3-4-6-12(10)19-8-7-13(20)18(19)2/h3-6,9H,7-8,15H2,1-2H3
InChIKeyIURNQGBTKXZFSO-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.25
Rot. Bonds2

About 1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one

1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one (PubChem CID 117431171) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one.

Molecular Properties

Compound Name1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one
PubChem CID117431171
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one
SMILESCN1C(=O)CCN1c1ccccc1-c1cnn(C)c1N
InChIInChI=1S/C14H17N5O/c1-17-14(15)11(9-16-17)10-5-3-4-6-12(10)19-8-7-13(20)18(19)2/h3-6,9H,7-8,15H2,1-2H3
InChIKeyIURNQGBTKXZFSO-UHFFFAOYSA-N
XLogP1.25
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one?
The IUPAC name of 1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one (CID 117431171) is 1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one.
What is the SMILES notation for 1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one?
The canonical SMILES for 1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one is CN1C(=O)CCN1c1ccccc1-c1cnn(C)c1N.
What is the InChIKey of 1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one?
The InChIKey is IURNQGBTKXZFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-17-14(15)11(9-16-17)10-5-3-4-6-12(10)19-8-7-13(20)18(19)2/h3-6,9H,7-8,15H2,1-2H3.
What are the key properties of 1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one?
1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one has a molecular weight of 271.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpyrazolidin-3-one is sourced from PubChem (CID 117431171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).